2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-6-oxidanyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-6-oxidanyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-6-hydroxy-7-methoxy-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-6-hydroxy-7-methoxy-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C29H24ClN3O4S2 MolecularWeight: 578.10156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4=CC=CS4)CC5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4=CC=CS4)CC5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C29H24ClN3O4S2/c1-15-27(16(2)37-32-15)31-29(35)20-13-33(14-25-26(30)17-7-4-5-8-23(17)39-25)28(24-9-6-10-38-24)19-12-22(36-3)21(34)11-18(19)20/h4-13,28,34H,14H2,1-3H3,(H,31,35)